iterations/neb0_image09_iter23_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209563051375E+04 0.20956E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142726648904E+03 -0.22384E+04 -0.21489E+04 2160 0.262E+02
DAV: 3 -0.466336610580E+03 -0.32361E+03 -0.32025E+03 1840 0.108E+02
DAV: 4 -0.479113625523E+03 -0.12777E+02 -0.12729E+02 1976 0.227E+01
DAV: 5 -0.479567336561E+03 -0.45371E+00 -0.45349E+00 2136 0.377E+00 0.427E+01
DAV: 6 -0.447171105634E+03 0.32396E+02 -0.14317E+02 2016 0.307E+01 0.271E+01
DAV: 7 -0.448946337468E+03 -0.17752E+01 -0.72978E+01 1896 0.112E+01 0.136E+01
DAV: 8 -0.446280088762E+03 0.26662E+01 -0.81448E+00 2416 0.799E+00 0.905E+00
DAV: 9 -0.446855985643E+03 -0.57590E+00 -0.17918E+01 1976 0.414E+00 0.510E+00
DAV: 10 -0.445916777393E+03 0.93921E+00 -0.73827E-01 2200 0.397E+00 0.245E+00
DAV: 11 -0.445982548138E+03 -0.65771E-01 -0.13601E+00 1904 0.150E+00 0.310E+00
DAV: 12 -0.445978789348E+03 0.37588E-02 -0.17774E+00 2040 0.110E+00 0.351E+00
DAV: 13 -0.446015411347E+03 -0.36622E-01 -0.20536E+00 2296 0.102E+00 0.390E+00
DAV: 14 -0.445905274665E+03 0.11014E+00 -0.24319E-01 1984 0.679E-01 0.666E-01
DAV: 15 -0.445911783160E+03 -0.65085E-02 -0.33093E-02 1952 0.307E-01 0.258E-01
DAV: 16 -0.445914227711E+03 -0.24446E-02 -0.37257E-03 1864 0.150E-01 0.191E-01
DAV: 17 -0.445916506263E+03 -0.22786E-02 -0.15702E-03 2032 0.914E-02 0.332E-01
DAV: 18 -0.445918412244E+03 -0.19060E-02 -0.23873E-03 2000 0.766E-02 0.220E-01
DAV: 19 -0.445920863585E+03 -0.24513E-02 -0.16881E-03 2064 0.994E-02 0.177E-01
DAV: 20 -0.445922800375E+03 -0.19368E-02 -0.88293E-04 1824 0.536E-02 0.570E-02
DAV: 21 -0.445923894371E+03 -0.10940E-02 -0.29053E-04 1808 0.355E-02 0.261E-02
DAV: 22 -0.445924469518E+03 -0.57515E-03 -0.22762E-04 1936 0.331E-02 0.841E-02
DAV: 23 -0.445924647399E+03 -0.17788E-03 -0.59501E-05 1584 0.179E-02 0.214E-02
DAV: 24 -0.445924859085E+03 -0.21169E-03 -0.49491E-05 1664 0.155E-02 0.106E-02
DAV: 25 -0.445925000317E+03 -0.14123E-03 -0.14354E-05 1184 0.809E-03 0.222E-02
DAV: 26 -0.445925061212E+03 -0.60895E-04 -0.68932E-06 1088 0.606E-03 0.803E-03
DAV: 27 -0.445925082863E+03 -0.21651E-04 -0.33338E-06 952 0.410E-03 0.109E-02
DAV: 28 -0.445925117344E+03 -0.34481E-04 -0.33582E-06 1032 0.559E-03 0.347E-03
DAV: 29 -0.445925128065E+03 -0.10721E-04 -0.17171E-06 936 0.282E-03 0.687E-03
DAV: 30 -0.445925131115E+03 -0.30506E-05 -0.45256E-07 936 0.224E-03
1 F= -.44592513E+03 E0= -.44589879E+03 d E =-.790169E-01